3-(furan-2-ylmethylsulfanylmethyl)benzenecarbonitrile

Systemtic Name: 3-(furan-2-ylmethylsulfanylmethyl)benzenecarbonitrile Openeye Name: 3-(2-furylmethylsulfanylmethyl)benzonitrile CAS Name: 3-[(2-furanylmethylthio)methyl]benzonitrile IUPAC Name: 3-(furan-2-ylmethylsulfanylmethyl)benzonitrile Traditional Name: 3-[(2-furfurylthio)methyl]benzonitrile Formula: C13H11NOS MolecularWeight: 229.29754

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CSCC2=CC=CO2)C#N

Isomeric SMILES

C1=CC(=CC(=C1)CSCC2=CC=CO2)C#N

InChI

InChI=1S/C13H11NOS/c14-8-11-3-1-4-12(7-11)9-16-10-13-5-2-6-15-13/h1-7H,9-10H2